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CAS No.: | 3258-84-2 |
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Name: | N-(1-PHENETHYL-PIPERIDIN-4-YL)-N-PHENYL-ACETAMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C21H26N2O |
Molecular Weight: | 322.45 |
Synonyms: | Acetanilide,N-(1-phenethyl-4-piperidyl)-(8CI);Piperidine,1-phenethyl-4-(N-phenylacetamido)-(7CI);Acetylfentanyl; |
EINECS: | 200-659-6 |
Density: | 1.1 g/cm3 |
Melting Point: | 93-95?C |
Boiling Point: | 453.8 °C at 760 mmHg |
Flash Point: | 183.1 °C |
Hazard Symbols: | Xn,Xi,T,F |
Risk Codes: | 22-36/37/38-39/23/24/25-23/24/25-11 |
Safety: | 26-45-36/37-16-7 |
PSA: | 23.55000 |
LogP: | 3.68450 |
The CAS registry number of Acetamide,N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]- is 3258-84-2. The IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide. In addition, the molecular formula is C21H26N2O and the molecular weight is 322.44. What's more, it belongs to the classes of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals and should be stored in a cool and dry place.
Physical properties about Acetamide,N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]- are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 0.46; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 7.58; (6)ACD/KOC (pH 5.5): 2.01; (7)ACD/KOC (pH 7.4): 57.73; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 99.03 cm3; (13)Molar Volume: 292.8 cm3; (14)Polarizability: 39.25 ×10-24cm3; (15)Surface Tension: 46.3 dyne/cm; (16)Density: 1.1 g/cm3; (17)Flash Point: 183.1 °C; (18)Enthalpy of Vaporization: 71.32 kJ/mol; (19)Boiling Point: 453.8 °C at 760 mmHg; (20)Vapour Pressure: 2.01E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(c1ccccc1)C3CCN(CCc2ccccc2)CC3)C
(2)InChI: InChI=1/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3
(3)InChIKey: FYIUUQUPOKIKNI-UHFFFAOYAY